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canSAR1130136
FEATURES
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NAMES
    SMILES
    Cc1noc(/C=C/c2ccccc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)C12C(=O)Nc1ccc(Cl)cc12
    InChI
    InChI=1S/C31H20ClN3O4/c1-17-27(25(39-34-17)14-11-18-7-3-2-4-8-18)35-16-22-26(29(37)21-10-6-5-9-20(21)28(22)36)31(35)23-15-19(32)12-13-24(23)33-30(31)38/h2-15H,16H2,1H3,(H,33,38)/b14-11+
    MOLECULAR FORMULA
    C31H20ClN3O4
    CROSS REFERENCES
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    canSAR1130136

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.11
    AlogP 5.85
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130136.